Geometry & MOs

Info

ID:	259531
PubChem CID:	103167491
Reduced:	ClNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	293.04153
ΔH_f, kcal/mol:	20.55
Dipole, Da:	2.12
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3-cyclobutylpropyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1CC(C1)CC(CC2=NC3=CC=CC=C3S2)Cl

DOS

IR

Vibrations